Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28876682 | 0.98 | TDP1 (0.48) | TDP1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL28118470 | 0.82 | TDP1 (0.52) | TDP1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL27621319 | 0.81 | TDP1 (0.50) | TDP1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL28100037 | 0.81 | TDP1 (0.50) | TDP1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL28546443 | 0.79 | TDP1 (0.48) | TDP1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL27773484 | 0.79 | TDP1 (0.48) | TDP1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL27772361 | 0.79 | TDP1 (0.48) | TDP1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL27740215 | 0.77 | TDP1 (0.62) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28267336 | 0.75 | TDP1 (0.59) | TDP1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28782248 | 0.75 | TDP1 (0.43) | TDP1CYP1A2HSD17B10ALDH1A1KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110325535-A | Piperidine-, morpholine-or piperazine-substituted [1,2,4] -triazolo [1,5-a ] -pyrimidinyl derivatives as OGA inhibitors | 詹森药业有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-105189499-B | naphthyridine derivatives useful as avbeta6 integrin antagonists | 葛兰素史克知识产权开发有限公司 | 2016-09-28 | — | — | CN | disclosed |